Atomistry » Calcium » PDB 3s9w-3snz » 3sje
Atomistry »
  Calcium »
    PDB 3s9w-3snz »
      3sje »

Calcium in PDB 3sje: X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid

Enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid

All present enzymatic activity of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid:
3.4.17.21;

Protein crystallography data

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid, PDB code: 3sje was solved by A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.57 / 1.70
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.824, 130.231, 159.171, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 18.8

Other elements in 3sje:

The structure of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid (pdb code 3sje). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid, PDB code: 3sje:

Calcium binding site 1 out of 1 in 3sje

Go back to Calcium Binding Sites List in 3sje
Calcium binding site 1 out of 1 in the X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Human Glutamate Carboxypeptidase II (the E424A Inactive Mutant) in Complex with N-Acetyl-Aspartyl-Aminononanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1753

b:15.6
occ:1.00
 OE2 A:GLU436 2.3 20.2 1.0
O A:TYR272 2.3 19.9 1.0
O A:THR269 2.4 17.4 1.0
OE1 A:GLU433 2.4 19.9 1.0
OE2 A:GLU433 2.4 19.9 1.0
O A:HOH1805 2.4 18.2 1.0
OG1 A:THR269 2.5 18.8 1.0
CD A:GLU433 2.8 17.4 1.0
C A:THR269 3.3 17.9 1.0
CB A:THR269 3.3 20.0 1.0
C A:TYR272 3.4 18.6 1.0
CD A:GLU436 3.4 19.0 1.0
OE1 A:GLU436 3.9 19.7 1.0
N A:TYR272 3.9 19.8 1.0
CA A:THR269 3.9 19.5 1.0
CA A:PRO273 4.2 20.7 1.0
N A:ALA274 4.2 18.9 1.0
CB A:ASP266 4.2 20.9 1.0
N A:PRO273 4.3 20.3 1.0
N A:PRO270 4.3 19.0 1.0
CG A:GLU433 4.3 18.6 1.0
CA A:TYR272 4.4 19.6 1.0
C A:PRO273 4.4 19.5 1.0
CA A:PRO270 4.5 20.2 1.0
N A:ASP266 4.5 19.8 1.0
N A:GLY271 4.5 19.2 1.0
O A:ASP266 4.5 22.0 1.0
O A:ALA264 4.6 23.1 1.0
N A:THR269 4.7 18.9 1.0
CG A:GLU436 4.7 17.4 1.0
CG2 A:THR269 4.7 21.1 1.0
C A:PRO270 4.8 19.4 1.0
OD2 A:ASP266 4.8 23.3 1.0
CB A:GLU436 4.9 18.8 1.0
CA A:ASP266 4.9 20.8 1.0
C A:GLY271 4.9 21.7 1.0
CB A:ALA274 4.9 21.0 1.0
CA A:GLU433 5.0 16.4 1.0

Reference:

A.Plechanovova, Y.Byun, G.Alquicer, L.Skultetyova, P.Mlcochova, A.Nemcova, H.J.Kim, M.Navratil, R.Mease, J.Lubkowski, M.Pomper, J.Konvalinka, L.Rulisek, C.Barinka. Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity. J.Med.Chem. V. 54 7535 2011.
ISSN: ISSN 0022-2623
PubMed: 21923190
DOI: 10.1021/JM200807M
Page generated: Sat Dec 12 04:30:06 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy